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Home > Other Heterocycles > 88113-68-2
88113-68-2 | 12-Azadispiro[4.1.4.2]tridecane-6,13-dione, 12-(oxiranylmethoxy)-
CAS No: 88113-68-2 Catalog No: AG004FTJ MDL No:
Product Description
Catalog Number:
AG004FTJ
Chemical Name:
12-Azadispiro[4.1.4.2]tridecane-6,13-dione, 12-(oxiranylmethoxy)-
CAS Number:
88113-68-2
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
12-(oxiran-2-ylmethoxy)-12-azadispiro[4.1.47.25]tridecane-6,13-dione
InChI:
InChI=1S/C15H21NO4/c17-12-14(5-1-2-6-14)13(18)16(20-10-11-9-19-11)15(12)7-3-4-8-15/h11H,1-10H2
InChI Key:
SHPWHGZSEMDSJO-UHFFFAOYSA-N
SMILES:
O=C1N(OCC2CO2)C2(C(=O)C31CCCC3)CCCC2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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